1-(4-ethylpiperazin-1-yl)-4-[2-(oxan-4-yl)phenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-[2-(oxan-4-yl)phenyl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-(2-tetrahydropyran-4-ylphenyl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[2-(4-oxanyl)phenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-[2-(oxan-4-yl)phenyl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-4-(2-tetrahydropyran-4-ylphenyl)isoquinoline hydrochloride Formula: C26H32ClN3O MolecularWeight: 438.00478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C4=CC=CC=C4C5CCOCC5.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C4=CC=CC=C4C5CCOCC5.Cl

InChI

InChI=1S/C26H31N3O.ClH/c1-2-28-13-15-29(16-14-28)26-24-10-6-5-9-23(24)25(19-27-26)22-8-4-3-7-21(22)20-11-17-30-18-12-20;/h3-10,19-20H,2,11-18H2,1H3;1H